Brief Information of the Compound and Protein
Compound Name
4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
    Show/Hide
PubChem ID
CID: 3002977
Canonical SMILES
CC(C)c1nnc(C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
    Show/Hide
Compound Formula C29H41F2N5O
Compound Structure
Protein Name
C-C chemokine receptor type 5
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Chemokine receptor
>
CC chemokine receptor
Uniprot ID
P51681
Gene Name
CCR5
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000698 GHOST(3).CCR5 Homo sapiens (Human)  1
1
EC50 = 18 nM
   TI
   LI
   LO
   TS
CL000149 HOS Homo sapiens (Human)  1
1
IC50 = 0.77 nM
   TI
   LI
   LO
   TS